(Z)-4-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-4-oxidanylidene-3-phenyl-but-2-enoate

Systemtic Name: (Z)-4-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-4-oxidanylidene-3-phenyl-but-2-enoate Openeye Name: (Z)-4-[2-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-oxo-3-phenyl-but-2-enoate CAS Name: (Z)-4-[2-(4-ethyl-1-piperazin-4-iumyl)anilino]-4-oxo-3-phenyl-2-butenoate IUPAC Name: (Z)-4-[2-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-oxo-3-phenylbut-2-enoate Traditional Name: (Z)-4-[2-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-keto-3-phenyl-but-2-enoate Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C(=CC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)/C(=C\C(=O)[O-])/C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-2-24-12-14-25(15-13-24)20-11-7-6-10-19(20)23-22(28)18(16-21(26)27)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3,(H,23,28)(H,26,27)/b18-16-